Sugi Predict

Sugi Predict / Compounds / SCHEMBL2199982

SCHEMBL2199982

SCHEMBL2199982

Cc1cc(OCCOC2CCCCO2)ccc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 10/20 0.58
▸ MAPK12 P53778 10/20 0.58
▸ MAPK11 Q15759 10/20 0.58
▸ MAPK14 Q16539 10/20 0.58
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ P2RX3 P56373 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HCAR3 P49019 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12424162 0.91 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196352 0.88 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196202 0.88 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198452 0.87 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196093 0.83 MAPK1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12424089 0.83 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196593 0.83 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198346 0.83 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12424062 0.81 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198966 0.80 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528597-A — — 2006-12-21 — — JP claimed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 — — US claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 — — EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 — — WO claimed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 — — US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 — — US disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 — — US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 — — EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK13 1063/4885MAPK12 955/4885MAPK11 612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.